| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 4th, 2006 | 4 | Yes |
Popular Name: Ethanolamine Ethanolamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 141-43-5 , 2002-24-6 , [2002-24-6]
141-43-5; 2-aminoethanol; colamine; ethanol-amine; ethanolamine; monoethanolamine
141-43-5; 2-Hydroxyethylamine; Aminoethanol; C00189; Ethanolamine
141-43-5; D05074; Monoethanolamine (NF)
2-hydroxyethan-1-aminium; ethanolamine; ethanolaminium cation
2-Hydroxyethylamine hydrochloride
2-Hydroxyethylammonium chloride
CHEBI:272066; CHEBI:42323; CHEBI:14223; CHEBI:23979; CHEBI:4880
Ethanolamine hydrochloride, 98+%
Ethanolamine hydrochloride, 99+%
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -1.51 | -3.72 | -37.17 | 4 | 2 | 1 | 48 | 62.092 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 10.3 | Acros Organics |
| Melting_Point | 10? | Alfa-Aesar |
| Melting_Point | 10° | Alfa-Aesar |
| UniProt Database Links | 1433F_BOVIN; 1433F_HUMAN; 1433F_MOUSE; 1433F_RAT; 2A5N_ARATH; AAPT1_ARATH; AAPT2_ARATH; ABCA4_HUMAN; ABCA4_MOUSE; AC4_BCTVC; AC4_TGMVY; ADPRM_ARATH; ADPRM_BOVIN; ADPRM_DANRE; ADPRM_HUMAN; ADPRM_MOUSE; ADPRM_ORYSJ; ADPRM_RAT; ADPRM_XENLA; ADPRM_XENTR; ALDH | ChEBI |
| Boiling_Point | 169-170? | Alfa-Aesar |
| Boiling_Point | 169-170° | Alfa-Aesar |
| BP [°C] | 170 | Acros Organics |
| ALOGPS_SOLUBILITY | 8.49e+02 g/l | DrugBank-experimental |
| Melting_Point | 83-86? | Alfa-Aesar |
| Melting_Point | 83-86° | Alfa-Aesar |
| Mp [°C] | 84 - 86 | Acros Organics |
| UniProt Database Links | AAPT1_ARATH; AAPT2_ARATH; ABCA4_HUMAN; ABCA4_MOUSE; ADPRM_ARATH; ADPRM_BOVIN; ADPRM_DANRE; ADPRM_HUMAN; ADPRM_MOUSE; ADPRM_ORYSJ; ADPRM_RAT; ADPRM_XENLA; ADPRM_XENTR; CEPT1_CHICK; CEPT1_HUMAN; CEPT1_MOUSE; CEPT1_RAT; CEPT1_XENLA; CEPT1_XENTR; CHKA_HUMAN | ChEBI |
| Hazard | C: Corrosive | Acros Organics |
| Patent Database Links | EP0831096; EP0842935; EP0842936; EP0923932; EP0952152; EP1072599; EP1072600; EP1151994; EP1151997; EP1201652; EP1253138; EP1375481; EP1410822; EP1422218; EP1535607; EP1541230; EP1543832; EP1559718; EP1683803; EP1688414; EP1707200; EP1767223; EP1782816; EP | ChEBI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled; H314: Causes severe skin burns and eye damage; H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P308 + P313: IF exposed o | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R34: Causes burns. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Reactome Database Links | REACT_120854; REACT_121084; REACT_121273; REACT_121308 | ChEBI |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.